5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid

C14H11NO3 — CID 54974551

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H11NO3/c16-14(17)12-6-11(7-15-8-12)9-1-2-13-10(5-9)3-4-18-13/h1-2,5-8H,3-4H2,(H,16,17)
InChIKeyMWENGLGTBLDDKQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.38
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid

5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid (PubChem CID 54974551) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
PubChem CID54974551
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H11NO3/c16-14(17)12-6-11(7-15-8-12)9-1-2-13-10(5-9)3-4-18-13/h1-2,5-8H,3-4H2,(H,16,17)
InChIKeyMWENGLGTBLDDKQ-UHFFFAOYSA-N
XLogP2.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994
5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 120525366
2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527794
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 167883086
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]methanone
CID 166211275

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid (CID 54974551) is 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid?
The InChIKey is MWENGLGTBLDDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)12-6-11(7-15-8-12)9-1-2-13-10(5-9)3-4-18-13/h1-2,5-8H,3-4H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 54974551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).